SCHEMBL4727503

SCHEMBL4727503

COC(=O)c1ccc(OCCCn2c3ccccc3c3ccccc32)c(C(=O)OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCARB1 Q8WTV0 2/20 0.53
CNR2 P34972 5/20 0.48
MAPT P10636 4/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 2/20 0.47
NPSR1 Q6W5P4 2/20 0.46
PTGER4 P35408 3/20 0.45
HSP90AA1 P07900 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4729148 0.93 SCARB1 (0.47) SCARB1CNR2MAPTLMNASMN1; SMN2
SCHEMBL4727510 0.82 SCARB1 (0.53) SCARB1CNR2LMNANPSR1PTGER4
SCHEMBL3932512 0.82 CNR2 (0.59) SCARB1CNR2PTGER4ALDH1A1HPGD
SCHEMBL19559314 0.82 MAPT (0.61) SCARB1CNR2MAPTLMNASMN1; SMN2
SCHEMBL4725248 0.81 SCARB1 (0.52) SCARB1CNR2MAPTLMNAPSEN1
SCHEMBL2875809 0.80 SCARB1 (0.49) SCARB1CNR2NPSR1PSEN1PSEN2
SCHEMBL4155967 0.78 MAPT (0.59) SCARB1MAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL350674 0.77 PSEN1 (0.52) SCARB1CNR2NPSR1PSEN1PSEN2
SCHEMBL4728759 0.76 MAPT (0.47) MAPTSMN1; SMN2NPSR1HSP90AA1ALDH1A1
SCHEMBL13011524 0.75 CNR2 (0.57) SCARB1CNR2PTGER4PSEN1PSEN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008021745-A2 HEPATITIS C VIRUS ENTRY INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2008-02-21 WO disclosed